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	hartrees
Energy at 0K	-93.987731
Energy at 298.15K
HF Energy	-93.987731
Nuclear repulsion energy	32.729015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3187	11.88
2	A'	3156	3040	36.94
3	A'	3039	2928	43.92
4	A'	1712	1649	8.01
5	A'	1537	1481	2.81
6	A'	1373	1322	65.03
7	A'	1100	1060	51.43
8	A"	1193	1149	56.86
9	A"	1120	1079	25.45

Atom	x (Å)	y (Å)
C1	0.055	0.589
N2	0.055	-0.685
H3	-0.827	1.241
H4	1.013	1.109
H5	-0.901	-1.088

	C1	N2	H3	H4	H5
C1		1.2746	1.0965	1.0897	1.9302
N2	1.2746		2.1187	2.0341	1.0370
H3	1.0965	2.1187		1.8441	2.3300
H4	1.0897	2.0341	1.8441		2.9133
H5	1.9302	1.0370	2.3300	2.9133

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.834		N2	C1	H3	126.476
N2	C1	H4	118.500		H3	C1	H4	115.023

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.176
2	N	-0.506
3	H	0.186
4	H	0.222
5	H	0.275

	x	y	z	Total
	-1.563	1.275	0.000	2.017
CHELPG
AIM
ESP

	x	y	z
x	2.324	0.330	0.000
y	0.330	3.444	0.000
z	0.000	0.000	0.888

<r²>	19.649
(<r²>)^1/2	4.433

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)